Geometry & MOs

Info

ID:	425854
PubChem CID:	135128290
Reduced:	SO2N5C21H25 (1)
Stoich.:	AB2C5D21E25 (1)
Weight, g/mol:	317.076888
ΔH_f, kcal/mol:	-42.94
Dipole, Da:	3.61
IP(EA), eV:	-8.33(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-cyclobutyl-2-N-(3-methyl-1,2-thiazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1(CCC(CC1)NC2=NC(=NC3=C2SC=C3)NC4=CC=CC(=C4)CC(=O)N)O

DOS

IR

Vibrations